4-[(E)-3-(3,4-dicarboxyphenyl)carbonyloxy-5-methyl-6-oxidanyl-6-oxidanylidene-hex-4-en-3-yl]oxycarbonylphthalic acid

Systemtic Name: 4-[(E)-3-(3,4-dicarboxyphenyl)carbonyloxy-5-methyl-6-oxidanyl-6-oxidanylidene-hex-4-en-3-yl]oxycarbonylphthalic acid Openeye Name: 4-[(E)-1-(3,4-dicarboxybenzoyl)oxy-1-ethyl-4-hydroxy-3-methyl-4-oxo-but-2-enoxy]carbonylphthalic acid CAS Name: 4-[[(E)-3-[(3,4-dicarboxyphenyl)-oxomethoxy]-6-hydroxy-5-methyl-6-oxohex-4-en-3-yl]oxy-oxomethyl]phthalic acid IUPAC Name: 4-[(E)-3-(3,4-dicarboxybenzoyl)oxy-6-hydroxy-5-methyl-6-oxohex-4-en-3-yl]oxycarbonylphthalic acid Traditional Name: 4-[(E)-1-(3,4-dicarboxybenzoyl)oxy-1-ethyl-4-hydroxy-4-keto-3-methyl-but-2-enoxy]carbonylphthalic acid Formula: C25H20O14 MolecularWeight: 544.4179

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=C(C)C(=O)O)(OC(=O)C1=CC(=C(C=C1)C(=O)O)C(=O)O)OC(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCC(/C=C(\C)/C(=O)O)(OC(=O)C1=CC(=C(C=C1)C(=O)O)C(=O)O)OC(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C25H20O14/c1-3-25(10-11(2)18(26)27,38-23(36)12-4-6-14(19(28)29)16(8-12)21(32)33)39-24(37)13-5-7-15(20(30)31)17(9-13)22(34)35/h4-10H,3H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35)/b11-10+